SCHEMBL6853577

SCHEMBL6853577

O=C1CN(c2ccccc2)C(=S)[N]1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
SIGMAR1 Q99720 3/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6856024 0.81 DDB1 (0.47) GAAKDM4EMAPTTDP1NPC1
SCHEMBL1610854 0.80 NPC1 (0.48) GAAKDM4EMAPTTDP1NPC1
SCHEMBL11604852 0.71 SIGMAR1 (0.58) GAAKDM4EMAPTTDP1NPC1
SCHEMBL9834330 0.69 KMT2A (0.61) GAAKDM4EMAPTTDP1NPC1
SCHEMBL9159989 0.69 NPC1 (0.45) GAAKDM4EMAPTTDP1NPC1
SCHEMBL7745621 0.69 KMT2A (0.45) GAAKDM4EMAPTTDP1NPC1
SCHEMBL6858115 0.69 KMT2A (0.44) KMT2AMEN1LMNASMN1; SMN2DDB1
SCHEMBL1685398 0.67 KMT2A (0.56) GAAKDM4EMAPTTDP1NPC1
SCHEMBL11601832 0.66 NPC1 (0.41) GAAKDM4EMAPTTDP1NPC1
SCHEMBL7941727 0.65 MAPT (0.58) GAAKDM4EMAPTTDP1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6784293-B1 SOLUTION AND SOLID-PHASE SYNTHESIS OF BOC-PROTECTED 3-AMINOHYDANTOINS/THIOHYDANTOINS AND 3-AMINODIHYDROURACILS/ DIHYDROTHIOURACILS THE PROCTER & GAMBLE COMPANY 2004-08-31 US disclosed